dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol

C25H19Br2NOV — CID 135967148

IUPACdibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol
SMILESBr[V]Br.Oc1c(/C(=N/c2ccccc2)c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C25H19NO.2BrH.V/c27-25-22(19-11-4-1-5-12-19)17-10-18-23(25)24(20-13-6-2-7-14-20)26-21-15-8-3-9-16-21;;;/h1-18,27H;2*1H;/q;;;+2/p-2/b26-24+;;;
InChIKeyMDNAQPLOBNLDJX-XNLHTSAWSA-L
MW560.19 g/mol
LogP7.92
Rot. Bonds4

About dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol

dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol (PubChem CID 135967148) has the molecular formula C25H19Br2NOV and a molecular weight of 560.19 g/mol. Its IUPAC name is dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol.

Molecular Properties

Compound Namedibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol
PubChem CID135967148
Molecular FormulaC25H19Br2NOV
Molecular Weight560.19 g/mol
Exact Mass557.93
IUPAC Namedibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol
SMILESBr[V]Br.Oc1c(/C(=N/c2ccccc2)c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C25H19NO.2BrH.V/c27-25-22(19-11-4-1-5-12-19)17-10-18-23(25)24(20-13-6-2-7-14-20)26-21-15-8-3-9-16-21;;;/h1-18,27H;2*1H;/q;;;+2/p-2/b26-24+;;;
InChIKeyMDNAQPLOBNLDJX-XNLHTSAWSA-L
XLogP7.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.19
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-6-prop-1-en-2-ylphenol
CID 154380547
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one
CID 135687056
4-bromo-2-(C,N-diphenylcarbonimidoyl)aniline
CID 3577590
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
4-(benzhydrylideneamino)benzene-1,2-diol
CID 175353708
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156
2-methyl-6-phenylphenol
CID 12592481
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
2-(C,N-diphenylcarbonimidoyl)-1-benzothiophen-3-ol
CID 3582254

Frequently Asked Questions

What is the IUPAC name of dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol?
The IUPAC name of dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol (CID 135967148) is dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol.
What is the SMILES notation for dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol?
The canonical SMILES for dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol is Br[V]Br.Oc1c(/C(=N/c2ccccc2)c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol?
The InChIKey is MDNAQPLOBNLDJX-XNLHTSAWSA-L. The full InChI is InChI=1S/C25H19NO.2BrH.V/c27-25-22(19-11-4-1-5-12-19)17-10-18-23(25)24(20-13-6-2-7-14-20)26-21-15-8-3-9-16-21;;;/h1-18,27H;2*1H;/q;;;+2/p-2/b26-24+;;;.
What are the key properties of dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol?
dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol has a molecular weight of 560.19 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol is sourced from PubChem (CID 135967148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).